N-[2,6-dimethyl-4-(2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)phenyl]-3,3-dimethylbutanamide

C22H30N2OS — CID 123944725

IUPACN-[2,6-dimethyl-4-(2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)phenyl]-3,3-dimethylbutanamide
SMILESCc1cc2c(s1)CN(c1cc(C)c(NC(=O)CC(C)(C)C)c(C)c1)CC2
InChIInChI=1S/C22H30N2OS/c1-14-9-18(24-8-7-17-11-16(3)26-19(17)13-24)10-15(2)21(14)23-20(25)12-22(4,5)6/h9-11H,7-8,12-13H2,1-6H3,(H,23,25)
InChIKeyDZFGKYDXYVBUQX-UHFFFAOYSA-N
MW370.56 g/mol
LogP5.61
Rot. Bonds3

About N-[2,6-dimethyl-4-(2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)phenyl]-3,3-dimethylbutanamide

N-[2,6-dimethyl-4-(2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)phenyl]-3,3-dimethylbutanamide (PubChem CID 123944725) has the molecular formula C22H30N2OS and a molecular weight of 370.56 g/mol. Its IUPAC name is N-[2,6-dimethyl-4-(2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2,6-dimethyl-4-(2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)phenyl]-3,3-dimethylbutanamide
PubChem CID123944725
Molecular FormulaC22H30N2OS
Molecular Weight370.56 g/mol
Exact Mass370.21
IUPAC NameN-[2,6-dimethyl-4-(2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)phenyl]-3,3-dimethylbutanamide
SMILESCc1cc2c(s1)CN(c1cc(C)c(NC(=O)CC(C)(C)C)c(C)c1)CC2
InChIInChI=1S/C22H30N2OS/c1-14-9-18(24-8-7-17-11-16(3)26-19(17)13-24)10-15(2)21(14)23-20(25)12-22(4,5)6/h9-11H,7-8,12-13H2,1-6H3,(H,23,25)
InChIKeyDZFGKYDXYVBUQX-UHFFFAOYSA-N
XLogP5.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.56
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-dimethyl-4-(2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2,6-dimethyl-4-(2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)phenyl]-3,3-dimethylbutanamide (CID 123944725) is N-[2,6-dimethyl-4-(2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2,6-dimethyl-4-(2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2,6-dimethyl-4-(2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)phenyl]-3,3-dimethylbutanamide is Cc1cc2c(s1)CN(c1cc(C)c(NC(=O)CC(C)(C)C)c(C)c1)CC2.
What is the InChIKey of N-[2,6-dimethyl-4-(2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)phenyl]-3,3-dimethylbutanamide?
The InChIKey is DZFGKYDXYVBUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2OS/c1-14-9-18(24-8-7-17-11-16(3)26-19(17)13-24)10-15(2)21(14)23-20(25)12-22(4,5)6/h9-11H,7-8,12-13H2,1-6H3,(H,23,25).
What are the key properties of N-[2,6-dimethyl-4-(2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)phenyl]-3,3-dimethylbutanamide?
N-[2,6-dimethyl-4-(2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)phenyl]-3,3-dimethylbutanamide has a molecular weight of 370.56 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dimethyl-4-(2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 123944725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).